Geometry & MOs

Info

ID:	156788
PubChem CID:	56385627
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	421.098394
ΔH_f, kcal/mol:	-66.02
Dipole, Da:	4.42
IP(EA), eV:	-8.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfonylmethyl)-N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2)N4C(=O)C5(CCCC5)NC4=O

DOS

IR

Vibrations